ChemicalBook--->CAS DataBase List--->76646-91-8

76646-91-8

76646-91-8 Structure

76646-91-8 Structure
IdentificationBack Directory
[Name]

(3S)-6,6-DIBROMO-2,2-DIMETHYLPENAM-3-CARBOXYLIC ACID 1,1-DIOXIDE
[CAS]

76646-91-8
[Synonyms]

Sulbactam EP Imp E
Sulbactam EP Impurity E
SulbactaM Related CoMpound E
6,6-DibroMopenicillanic Acid S,S-Dioxide
Sulbactam Impurity 5(Sulbactam EP Impurity E)
(3S)-6,6-DIBROMO-2,2-DIMETHYLPENAM-3-CARBOXYLIC ACID 1,1-DIOXIDE
Sulbactam EP Impurity E/ Sulbactam Related Compound E (6,6-Dibromopenicillanic Acid Sulfone)
(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6,6-Dibromo-3,3-dimethyl-7-oxo-4,4-dioxide (2S-bis)-4-thia-1-azabicyclo-(3,2,0)-heptane-2-carbonoic acid
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
[Molecular Formula]

C8H9Br2NO5S
[MDL Number]

MFCD28137728
[MOL File]

76646-91-8.mol
[Molecular Weight]

391.03
Chemical PropertiesBack Directory
[Melting point ]

177-178 °C (decomp)
[Boiling point ]

600.1±55.0 °C(Predicted)
[density ]

2.29±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[pka]

2.03±0.60(Predicted)
[Major Application]

pharmaceutical
[InChI]

1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1
[InChIKey]

DZYBRGUNKNPEKM-BBIVZNJYSA-N
[SMILES]

[S]1(=O)(=O)[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)C2(Br)Br
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H317-H318
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
[WGK Germany ]

WGK 3
[HS Code ]

2941906000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

6,6-Dibromopenicillanic Acid S,S-Dioxide is an impurity of the semi-synthetic β-lactamase inhibitor Sulbactam (S699185).
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